Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 489.67 34 281.7 2.95 295 155.4 0.80 73 1753.7 88.24 2 492.76 34 276.1 2.88 323 174.8 0.87 73 1798.6 96.53 3 493.01 37 268.0 2.81 338 182.2 1.06 81 1806.2 73.99 4 497.72 41 269.2 2.86 309 174.5 1.12 66 1608.0 86.18 5 505.15 38 269.5 3.65 337 185.8 0.92 72 1816.6 91.71 6 505.77 34 279.0 3.30 347 182.7 0.91 82 1747.5 73.25 7 508.77 38 288.1 2.80 326 180.2 0.98 72 1688.8108.81 8 515.72 41 297.1 3.39 335 178.0 0.89 77 1619.8 66.07 9 519.30 43 279.9 3.42 312 166.8 0.97 77 1926.8 72.79 10 526.26 35 275.1 3.64 303 171.1 1.14 75 2062.8 78.93 11 528.03 41 285.5 2.81 351 191.2 1.12 78 1924.3 65.71 12 528.64 36 257.8 4.69 308 168.3 0.98 75 2098.8 92.91 13 538.45 41 288.4 3.09 355 191.0 1.21 67 1598.4 74.48 14 541.02 39 283.3 2.92 383 208.8 1.19 77 1875.0 83.51 15 552.12 42 288.3 3.62 333 179.8 0.92 64 1683.0128.75 16 553.90 37 307.5 3.31 414 223.3 0.97 77 1623.9 71.98 17 558.57 38 284.8 3.05 385 208.9 1.29 70 1839.0 96.88 18 561.30 45 290.2 3.08 338 182.1 1.07 79 2029.2 84.35 19 564.53 40 301.3 3.68 311 168.8 1.13 68 1819.1 95.38 20 564.64 42 279.8 3.64 386 199.0 1.12 68 1642.7 75.10 Ave 527.27 39 282.5 3.28 339 183.6 1.03 74 1798.1 85.28 +/- 25.21 3 11.5 0.45 31 16.0 0.13 5 149.5 15.06 Min 489.67 34 257.8 2.80 295 155.4 0.80 64 1598.4 65.71 Max 564.64 45 307.5 4.69 414 223.3 1.29 82 2098.8128.75 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 1.50 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HA VAL 73 - HB3 PRO 104 3.11 6 0.86 2.07 *+ + + + + # peak 301 # SUP 1.52 HA VAL 73 - HB2 ASP- 82 # SUP 0.16 HA VAL 73 - HB3 GLU- 75 # SUP 0.37 HA VAL 73 - HG3 GLU- 109 # SUP 0.31 HA VAL 73 - HG3 GLU- 107 # SUP 0.40 HA VAL 73 - HG2 PRO 104 # SUP 1.89 HA VAL 73 - HB2 LYS+ 113 # SUP 0.41 HA VAL 73 - HG2 GLN 102 # SUP 0.28 Upper HA ASN 89 - QB ALA 91 2.94 7 1.37 3.05 + ++ + *+ + # peak 679 # SUP 2.65 HA PRO 59 - QB ALA 91 # SUP 0.02 Upper HA SER 88 - HA ASN 89 3.60 6 1.21 1.64 + + + *+ + # peak 756 # SUP 2.51 Upper HA ARG+ 53 - HB3 GLU- 54 3.04 14 1.56 2.58 ++++++++++ *++ + # peak 938 # SUP 1.71 HA ARG+ 53 - HD3 LYS+ 63 # SUP 0.49 HA ARG+ 53 - HB3 GLN 102 # SUP 0.10 HA ARG+ 53 - HB3 CYS 123 # SUP 0.02 HG2 GLU- 18 - HA ARG+ 53 # SUP 0.02 HA ARG+ 53 - HB3 MET 118 # SUP 0.02 Upper HA GLU- 56 - HG3 GLU- 64 3.00 11 1.29 2.19 ++++*++ ++ ++ # peak 991 # SUP 0.86 HA SER 85 - HB2 PRO 86 # SUP 3.20 HG3 GLU- 64 - HA LYS+ 108 # SUP 0.43 HA SER 85 - HB3 PRO 86 # SUP 3.79 HG3 GLU- 64 - HA GLU- 75 # SUP 0.15 HA GLU- 56 - HA1 GLY 58 # SUP 1.91 HA ARG+ 84 - HB2 PRO 86 # SUP 0.48 HA1 GLY 58 - HA ARG+ 84 # SUP 0.66 HA GLU- 56 - HB3 PRO 86 # SUP 0.73 HG3 GLU- 64 - HA SER 85 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 3.63 20 2.59 3.07 +++++++++++++++++*++ # peak 1245 # SUP 1.74 HA LYS+ 63 - HA ALA 91 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 4.13 14 1.67 1.94 ++ ++ +++ ++* + +++ # peak 1246 # SUP 1.74 HA ALA 91 - HA ALA 93 # SUP 0.45 Upper HA THR 95 - HD2 PRO 116 2.95 6 1.11 2.05 ++* + ++ # peak 1283 # SUP 0.62 HA ILE 19 - HD2 PRO 116 # SUP 0.90 HD2 PRO 86 - HA ASN 89 # SUP 0.52 HD3 PRO 86 - HA ASN 89 # SUP 0.52 Upper HA THR 95 - HD3 PRO 116 2.92 8 1.37 2.23 + ++* + + ++ # peak 1287 # SUP 0.52 HA ILE 19 - HD3 PRO 116 # SUP 0.47 HD3 PRO 86 - HA ASN 89 # SUP 0.52 HA ASN 89 - HD3 PRO 112 # SUP 0.11 HA THR 95 - HD3 PRO 112 # SUP 0.02 Upper HB2 LEU 17 - HB3 GLU- 50 2.96 8 1.23 2.36 + +++ ++ +* # peak 1396 # SUP 0.89 HB2 LEU 17 - HB3 GLU- 18 # SUP 1.77 HB2 LEU 17 - HB VAL 94 # SUP 0.20 HB2 LEU 17 - HB ILE 48 # SUP 0.68 HB2 LEU 17 - HB2 ARG+ 84 # SUP 0.02 Upper HG3 GLU- 50 - HA ASN 89 3.47 6 1.07 2.57 ++ + +*+ # peak 1833 # SUP 2.10 HG3 GLU- 50 - HA PRO 52 # SUP 0.21 HG3 GLU- 50 - HA PRO 59 # SUP 0.26 Upper HA ASN 89 - HB3 MET 97 3.93 7 1.27 2.47 + + + + ++ * # peak 1912 # SUP 1.01 HA VAL 73 - HB3 MET 97 # SUP 0.65 HB THR 24 - HB3 MET 97 # SUP 0.24 HB3 MET 97 - HA LYS+ 111 # SUP 0.24 HA LYS+ 66 - HB3 MET 97 # SUP 0.34 HB3 MET 97 - HA VAL 99 # SUP 0.40 Upper HG2 GLN 102 - HN GLY 114 3.74 7 1.23 3.62 + + + + * ++ # peak 1923 # SUP 1.20 HN VAL 99 - HG2 GLN 102 # SUP 0.84 HG3 GLN 102 - HN GLY 114 # SUP 0.91 HN VAL 99 - HG3 GLN 102 # SUP 0.58 Upper HB VAL 87 - HA ASN 89 3.44 9 1.23 2.39 + ++ *++ + + + # peak 2031 # SUP 1.29 HB VAL 87 - HB2 SER 88 # SUP 1.79 HA LYS+ 44 - HB VAL 87 # SUP 0.72 Upper HG3 ARG+ 84 - HA ASN 89 3.71 8 1.33 2.60 ++ + + +* + + # peak 2535 # SUP 2.67 HG3 ARG+ 84 - HA LEU 90 # SUP 0.69 HG3 ARG+ 84 - HA SER 85 # SUP 1.00 HA VAL 73 - HG3 ARG+ 84 # SUP 0.14 HA PRO 52 - HG3 ARG+ 84 # SUP 0.41 HG3 ARG+ 84 - HA THR 106 # SUP 0.10 HG3 ARG+ 84 - HA ALA 91 # SUP 0.23 Upper HA1 GLY 30 - HG3 PRO 31 3.46 6 1.15 2.29 + + + *++ # peak 2696 # SUP 3.67 HG3 PRO 31 - HB3 SER 69 # SUP 0.56 HG3 PRO 31 - HA ASN 89 # SUP 0.57 HG3 PRO 31 - HA ILE 48 # SUP 0.45 Upper HA LYS+ 60 - HB THR 61 2.53 19 1.94 2.81 ++++ +++++*+++++++++ # peak 3343 # SUP 1.55 HA2 GLY 26 - HB THR 61 # SUP 0.18 HB THR 61 - HA ASN 89 # SUP 0.27 HB THR 61 - HA VAL 73 # SUP 0.17 HA1 GLY 26 - HB THR 61 # SUP 0.02 Upper HG2 PRO 31 - HA ILE 68 4.28 6 0.90 2.44 + + +* + + # peak 3432 # SUP 1.27 HG2 PRO 31 - HA PHE 34 # SUP 0.51 Upper HG3 PRO 31 - HA ILE 68 4.57 8 1.35 3.25 + + ++ + + + * # peak 3433 # SUP 1.71 HG3 PRO 31 - HA PHE 34 # SUP 0.68 Upper QD PHE 21 - HB3 ARG+ 22 3.50 6 1.00 2.28 + *+ ++ + # peak 302 # SUP 2.49 QD PHE 21 - HB3 MET 126 # SUP 0.70 QD PHE 21 - HG3 ARG+ 84 # SUP 0.39 QD PHE 21 - HB3 MET 97 # SUP 0.37 Upper QE PHE 21 - QB ALA 103 3.75 8 1.16 2.34 + + * ++ + + + # peak 570 # SUP 1.14 QE PHE 21 - HG LEU 74 # SUP 1.99 HG3 LYS+ 20 - QE PHE 21 # SUP 1.41 HB2 LEU 17 - QE PHE 21 # SUP 0.55 Upper HN MET 97 - HA HIS+ 98 3.65 9 1.51 2.32 + + ++ + + * ++ # peak 71 # SUP 1.26 HA ALA 33 - HN MET 97 # SUP 1.36 Upper HN TRP 51 - HD2 PRO 52 3.24 6 1.06 1.71 + + ++ * + # peak 170 # SUP 2.78 HN TRP 51 - HA ASN 89 # SUP 2.19 HA ILE 48 - HN TRP 51 # SUP 1.43 HN TRP 51 - HA LYS+ 81 # SUP 0.37 Upper HN THR 96 - HB3 MET 97 4.50 6 1.06 2.17 + + + +* + # peak 191 # SUP 1.26 HG3 ARG+ 84 - HN THR 96 # SUP 0.39 HB2 LEU 67 - HN THR 96 # SUP 0.33 HN THR 96 - HB3 MET 126 # SUP 0.28 HG LEU 23 - HN THR 96 # SUP 0.09 HB3 ARG+ 22 - HN THR 96 # SUP 0.02 Upper HG3 PRO 31 - HN VAL 73 3.19 6 1.15 2.39 + + ++ +* # peak 218 # SUP 0.58 HN VAL 73 - HG3 PRO 116 # SUP 0.28 HN VAL 73 - HB2 GLU- 75 # SUP 0.14 HN VAL 73 - HB2 PRO 116 # SUP 0.17 HN VAL 73 - HG3 PRO 104 # SUP 0.47 HB ILE 29 - HN VAL 73 # SUP 0.18 HB3 LYS+ 55 - HN VAL 73 # SUP 0.02 HN VAL 73 - HG2 PRO 112 # SUP 0.02 HN VAL 73 - HB VAL 122 # SUP 0.02 Upper HA ASN 89 - HN ALA 93 3.48 8 1.31 2.37 + + ++ * +++ # peak 291 # SUP 1.84 HA LEU 90 - HN ALA 93 # SUP 1.27 HA VAL 73 - HN ALA 93 # SUP 0.44 Upper HA ASN 76 - HN VAL 80 3.50 8 1.38 2.07 * ++ ++ + + + # peak 660 # SUP 0.59 HA VAL 73 - HN VAL 80 # SUP 0.95 HA LYS+ 55 - HN VAL 80 # SUP 0.43 HN VAL 80 - HA CYS 123 # SUP 0.02 HA SER 77 - HN VAL 80 # SUP 0.02 Upper HG2 PRO 59 - HN VAL 65 3.37 16 1.68 2.58 +++ +++++++ * + ++++ # peak 742 # SUP 1.43 QG2 ILE 48 - HN VAL 65 # SUP 0.58 HN VAL 65 - HG LEU 67 # SUP 0.42 HG12 ILE 19 - HN VAL 65 # SUP 0.33 HN VAL 65 - QG2 ILE 101 # SUP 0.14 QD1 ILE 19 - HN VAL 65 # SUP 0.09 Upper HN SER 27 - HA ASN 89 4.19 9 1.32 3.48 + + *+ + ++++ # peak 816 # SUP 2.26 HN SER 27 - HA ILE 48 # SUP 1.68 HN SER 27 - HB3 SER 69 # SUP 0.25 HN SER 27 - HA1 GLY 30 # SUP 0.19 Upper HN GLY 30 - HN LYS+ 32 4.84 8 1.18 2.11 ++ *+ ++ + + # peak 919 # SUP 0.92 HN GLY 30 - HN ASN 57 # SUP 0.10 HN GLY 30 - HN LYS+ 60 # SUP 0.02 Upper HA ASN 89 - HN GLY 92 3.16 12 1.48 2.67 ++++ + ++ ++++ * # peak 1017 # SUP 2.50 HA VAL 73 - HN GLY 92 # SUP 0.89 HA GLU- 18 - HN GLY 92 # SUP 0.42 HA GLU- 64 - HN GLY 92 # SUP 0.39 HA LYS+ 44 - HN GLY 92 # SUP 0.39 Upper HN THR 46 - HA ASN 89 4.38 10 1.60 2.65 ++ +* + + +++ + # peak 1171 # SUP 2.11 HN THR 46 - HA ILE 48 # SUP 1.34 HN THR 46 - HD2 PRO 52 # SUP 0.48 Upper QD1 ILE 19 - HB3 PHE 34 2.39 7 1.33 2.78 + + * + + ++ # peak 2391 # SUP 1.81 QD1 ILE 19 - HA ASN 89 # SUP 2.80 QD1 ILE 19 - HD3 PRO 35 # SUP 0.82 QD1 ILE 19 - HA1 GLY 58 # SUP 0.97 HA1 GLY 58 - QD1 ILE 68 # SUP 0.42 QD1 ILE 68 - HA ASN 89 # SUP 2.49 HB3 PHE 34 - QD1 ILE 68 # SUP 0.18 HG LEU 74 - HB3 MET 126 # SUP 1.37 HG LEU 90 - HB3 MET 126 # SUP 0.38 Upper HN ILE 48 - HB3 LEU 67 3.40 7 0.97 2.22 +*+ ++ ++ # peak 1066 # SUP 2.23 HN ILE 48 - HG LEU 74 # SUP 1.19 HZ2 TRP 51 - HG LEU 90 # SUP 0.41 HE1 TRP 51 - HN GLY 58 # SUP 2.35 HN GLY 58 - HN ALA 70 # SUP 0.02 HN GLY 58 - HN HIS+ 98 # SUP 0.08 Upper HN ILE 19 - HA ASN 89 3.48 10 1.57 3.65 + +* ++ ++ + + + # peak 2723 # SUP 1.86 HN ILE 19 - HD2 PRO 116 # SUP 0.47 HN ILE 19 - HA LYS+ 44 # SUP 0.49 HN ILE 19 - HB3 SER 88 # SUP 0.18 HA1 GLY 58 - QB ALA 103 # SUP 1.25 HG2 LYS+ 32 - HA1 GLY 58 # SUP 0.63 HG2 LYS+ 32 - HB2 HIS+ 98 # SUP 0.02 Upper HG13 ILE 19 - HA ASN 89 2.98 7 1.19 3.39 *+ +++ + + # peak 2502 # SUP 3.45 HG13 ILE 19 - HA LYS+ 44 # SUP 0.95 HG13 ILE 19 - HB2 SER 88 # SUP 0.62 HG12 ILE 19 - HD3 LYS+ 55 # SUP 0.75 QD1 ILE 19 - HD3 LYS+ 55 # SUP 0.75 HD3 LYS+ 55 - HG LEU 67 # SUP 0.08 HD3 LYS+ 55 - QG2 VAL 94 # SUP 0.02 HD3 LYS+ 55 - QG1 VAL 62 # SUP 0.02 Upper HA2 GLY 26 - HA ASN 89 3.06 7 1.01 3.64 + *+ ++ + + # peak 1211 # SUP 1.46 HA1 GLY 26 - HA ASN 89 # SUP 2.10 HA1 GLY 26 - HA ILE 48 # SUP 1.11 HA2 GLY 26 - HA ILE 48 # SUP 0.86 HA THR 61 - HN THR 96 # SUP 1.37 HA ASN 89 - HN THR 96 # SUP 1.68 HA TYR 83 - HN THR 96 # SUP 0.36 HN THR 96 - HA ASN 119 # SUP 0.11 HA2 GLY 30 - HN THR 96 # SUP 0.39 Upper QD1 LEU 74 - HN CYS 121 3.59 11 1.85 4.69 ++ + ++ * +++++ # peak 594 # SUP 2.50 QD1 LEU 74 - HN VAL 122 # SUP 2.77 QD1 LEU 74 - HN LYS+ 110 # SUP 0.40 HN LEU 43 - HA ASN 89 # SUP 2.73 HN LEU 43 - HA ILE 48 # SUP 1.23 Upper HA ILE 68 - QD2 LEU 74 3.53 12 1.70 3.30 + +++* ++++ + ++ # peak 163 # SUP 0.76 HA PHE 34 - QD2 LEU 74 # SUP 0.02 HN THR 46 - QB ALA 103 # SUP 1.83 HN LYS+ 55 - QB ALA 103 # SUP 1.01 Upper HB3 LYS+ 72 - HN VAL 94 3.29 9 1.33 3.31 ++ ++ ++*+ + # peak 3397 # SUP 2.94 HN GLU- 45 - HB3 LYS+ 72 # SUP 1.12 HB3 LYS+ 72 - HN LYS+ 81 # SUP 1.18 HB3 LYS+ 72 - HN VAL 105 # SUP 0.32 HN LEU 67 - HB3 LYS+ 72 # SUP 0.22 QD2 LEU 23 - HA ASN 89 # SUP 0.57 QD2 LEU 23 - HD3 PRO 116 # SUP 1.17 QD2 LEU 23 - HB3 SER 88 # SUP 0.28 QD2 LEU 23 - HA LYS+ 44 # SUP 0.19 QD2 LEU 23 - HA VAL 87 # SUP 0.09 QD2 LEU 23 - HB2 SER 85 # SUP 0.16 QD2 LEU 23 - HD3 PRO 86 # SUP 0.02 Upper HB2 GLU- 45 - HB2 GLU- 50 2.81 11 1.40 2.78 + + + + *+ +++ ++ # peak 1029 # SUP 1.71 HB3 GLU- 45 - HB2 GLU- 50 # SUP 2.18 HB2 GLU- 50 - HG3 PRO 86 # SUP 0.48 HB2 LYS+ 44 - HB2 GLU- 50 # SUP 0.94 HB2 GLU- 50 - HB3 GLU- 107 # SUP 0.02 HN GLY 26 - HA ASN 89 # SUP 1.96 HN GLY 26 - HA ILE 48 # SUP 0.75 Upper HA ASN 89 - HN THR 95 2.65 8 1.16 2.19 + ++ +*+ + + # peak 1510 # SUP 2.15 HA VAL 73 - HN THR 95 # SUP 2.73 HD3 PRO 59 - HN THR 95 # SUP 1.15 HA PRO 59 - HN THR 95 # SUP 0.87 HA ALA 91 - HN THR 95 # SUP 0.46 HA ARG+ 84 - HN THR 95 # SUP 0.37 HA SER 85 - HN THR 95 # SUP 0.39 HN THR 95 - HA LYS+ 108 # SUP 0.45 HA GLU- 75 - HN THR 95 # SUP 0.14 HA VAL 65 - HN THR 95 # SUP 0.09 HG3 LYS+ 20 - HE3 LYS+ 60 # SUP 1.05 HG3 ARG+ 22 - HE3 LYS+ 60 # SUP 0.49 HB3 LYS+ 20 - HE3 LYS+ 60 # SUP 0.63 HB2 LYS+ 20 - HE3 LYS+ 60 # SUP 1.03 HG13 ILE 19 - HE3 LYS+ 60 # SUP 0.36 HE3 LYS+ 60 - HG LEU 74 # SUP 0.10 Upper HG LEU 17 - QG2 ILE 29 2.54 7 1.17 3.00 + + + ++ + * # peak 1488 # SUP 1.55 HG LEU 17 - HG12 ILE 29 # SUP 1.60 HG LEU 17 - HG LEU 74 # SUP 1.13 HB3 LEU 90 - HB2 HIS+ 98 # SUP 1.18 HB ILE 19 - HB2 HIS+ 98 # SUP 1.39 HB ILE 19 - HA1 GLY 58 # SUP 1.08 HA1 GLY 58 - HB3 LEU 90 # SUP 0.38 HB ILE 19 - HG3 MET 97 # SUP 1.40 HB ILE 19 - HE3 LYS+ 60 # SUP 0.36 HB3 LEU 90 - HG3 MET 97 # SUP 0.16 Angle PSI LEU 17 116.00 146.00 13 9.37 32.92 + ++ +++ +*+ ++ ++ Angle PHI ILE 19 239.00 273.00 16 14.82 51.85 + ++++++++*++++ ++ Angle PSI ILE 19 124.00 144.00 15 22.53 65.03 ++ ++++++++++ + *+ Angle PHI LYS+ 20 204.00 242.00 12 17.54 59.31 ++ +++ +* ++++ + Angle PSI LYS+ 20 128.00 162.00 12 12.43 68.28 ++ ++++ + * ++++ Angle PHI PHE 21 237.00 261.00 18 19.36 47.69 +++++++++*+ +++++++ Angle PSI PHE 21 106.00 132.00 17 24.98 49.53 ++ +++++ +++++++++* Angle PHI ARG+ 22 225.00 267.00 13 17.98 67.46 ++++++ + +++ +*+ Angle PSI ARG+ 22 107.00 141.00 8 7.45 40.97 * ++ ++ +++ Angle PHI THR 24 276.00 298.00 11 8.58 33.84 +++ +++ + + ++ * Angle PSI THR 24 313.00 345.00 7 6.28 22.97 + + ++ * + + Angle PHI ASP- 25 248.00 276.00 12 7.46 25.12 ++ *++ ++ + ++ ++ Angle PSI ASP- 25 359.00 25.00 14 10.17 36.16 +++++ ++*+++ ++ + Angle PHI ASP- 28 210.00 256.00 10 6.21 24.33 + +++++ *++ + Angle PSI ASP- 28 127.00 157.00 13 16.08 63.61 *+ + +++++ + ++++ Angle PHI ILE 29 214.00 268.00 13 15.19 54.75 + +++++ + ++ ++ *+ Angle PSI ILE 29 109.00 149.00 9 11.41 45.20 + + +*+ + +++ Angle PSI PRO 31 128.00 150.00 17 26.03 72.90 +++++*+++ ++++++++ Angle PHI LYS+ 32 205.00 253.00 15 18.77 72.12 ++ ++++*++ ++++ ++ Angle PSI LYS+ 32 137.00 157.00 17 20.85 56.93 +++++++ + ++++++ ++* Angle PHI ALA 33 246.00 278.00 17 24.42 78.93 +++++++ +*++++++ + + Angle PSI ALA 33 120.00 148.00 14 14.94 48.30 +++ *+++++++ + + + Angle PSI PHE 34 116.00 164.00 10 7.91 33.68 + + + ++ +++*+ Angle PSI PRO 35 119.00 149.00 8 4.60 17.93 + ++ + + *++ Angle PHI THR 38 261.00 293.00 12 6.68 18.42 ++ + +++ + + +*+ + Angle PSI THR 38 113.00 153.00 13 7.27 22.57 + +++++ ++ +*+ + + Angle PHI VAL 40 282.00 302.00 9 8.19 28.55 ++ ++ + + + +* Angle PSI VAL 40 319.00 339.00 16 14.57 56.21 *+++ + +++ ++++++++ Angle PHI SER 41 281.00 301.00 13 12.30 50.38 +*+ +++ ++++ +++ Angle PSI SER 41 309.00 329.00 17 18.10 45.01 +*+++++++ +++++++ + Angle PHI ALA 42 282.00 302.00 11 13.69 73.99 ++* + + + +++++ Angle PSI ALA 42 314.00 334.00 14 17.59 82.40 +++ +++++++++*+ Angle PHI LEU 43 283.00 303.00 16 14.16 33.93 ++++ + *++++++++++ Angle PSI LEU 43 314.00 338.00 14 19.57 96.88 + + +++++ ++ ++*+ + Angle PHI LYS+ 44 263.00 301.00 11 6.83 18.25 +*++ + + ++ + + + Angle PSI LYS+ 44 314.00 10.00 16 24.56 61.77 ++ + +++++ +*++++++ Angle PHI GLU- 45 283.00 303.00 16 31.99 80.30 +++++ ++ ++++++++* Angle PSI GLU- 45 311.00 337.00 17 22.69 57.55 + +++++++++*+ +++++ Angle PHI THR 46 286.00 306.00 19 24.94 66.42 ++++++++++++*+++ +++ Angle PSI THR 46 307.00 333.00 14 15.86 69.09 +++++ + +++* +++ + Angle PHI VAL 47 286.00 306.00 13 16.36 47.33 +++++ + +*+++ ++ Angle PSI VAL 47 304.00 324.00 11 12.50 52.77 ++ +++ + *++ + + Angle PHI ILE 48 291.00 311.00 14 16.91 61.32 ++ ++++* ++++ +++ Angle PSI ILE 48 308.00 328.00 9 7.95 26.21 ++ ++ * + +++ Angle PHI TRP 51 251.00 281.00 11 10.57 41.57 + + *+ + + + + + ++ Angle PSI TRP 51 110.00 138.00 9 9.96 40.79 ++* ++ ++ ++ Angle PHI ARG+ 53 285.00 305.00 9 10.18 49.12 +++ + ++ * + + Angle PSI ARG+ 53 314.00 334.00 19 27.66 53.66 ++++++++++++ ++++*++ Angle PHI GLU- 54 256.00 286.00 18 25.28 54.96 ++++++++++++ ++ +*++ Angle PSI GLU- 54 331.00 13.00 13 10.16 39.15 ++ + + ++ ++ *++++ Angle PHI THR 61 232.00 276.00 18 18.79 46.16 +++*++++++ ++++++++ Angle PSI THR 61 147.00 175.00 16 16.25 65.71 + ++++++++*+ +++ ++ Angle PHI VAL 62 289.00 309.00 11 7.92 20.11 + + +* ++++ + + + Angle PSI VAL 62 316.00 336.00 10 7.32 22.91 ++ +++ ++ + + * Angle PHI VAL 65 225.00 259.00 14 13.13 33.59 ++++ ++++++++ *+ Angle PSI VAL 65 92.00 130.00 17 25.58 91.71 ++++* ++++++++++ ++ Angle PHI LYS+ 66 235.00 281.00 18 20.29 65.84 ++++*++++ +++++++++ Angle PSI LYS+ 66 118.00 152.00 16 15.63 34.78 ++++ + +*++++ +++++ Angle PHI LEU 67 223.00 259.00 16 21.34 44.05 +++* + ++++++ ++++ + Angle PSI LEU 67 135.00 155.00 19 31.11 71.72 ++++*++++++++++++++ Angle PHI ILE 68 227.00 253.00 16 30.67 84.35 ++ +++++++++++++* Angle PSI ILE 68 110.00 146.00 14 19.19 52.15 + ++++++ +++++ + * Angle PHI SER 69 218.00 274.00 13 20.01 56.92 ++++++ ++ + ++ + * Angle PSI SER 69 110.00 134.00 15 11.46 45.81 + ++*++ ++++ +++++ Angle PHI LYS+ 72 235.00 261.00 9 6.24 25.61 * +++ + ++++ Angle PSI LYS+ 72 116.00 150.00 12 14.37 65.79 + + + +++ + ++++* Angle PHI VAL 73 244.00 278.00 12 9.46 32.61 + ++*+ +++++ + + Angle PSI VAL 73 107.00 137.00 13 10.67 26.81 ++ ++++ ++* ++ ++ Angle PHI ASN 76 276.00 300.00 9 7.19 20.87 *+ + + ++ ++ + Angle PSI ASN 76 320.00 344.00 9 5.40 16.23 +++ ++ + *+ + Angle PHI THR 79 222.00 272.00 16 9.13 20.69 + ++++++++++ * ++ ++ Angle PSI THR 79 148.00 174.00 19 24.74 45.09 *+++++++++++ +++++++ Angle PHI VAL 80 284.00 304.00 7 7.05 40.18 ++ ++ *+ + Angle PHI LYS+ 81 287.00 307.00 6 3.77 18.05 ++ *+ ++ Angle PSI LYS+ 81 309.00 331.00 12 7.65 18.64 +++ + *++ ++ ++ + Angle PHI ARG+ 84 239.00 303.00 11 8.29 29.19 ++ + + + *++ ++ + Angle PSI ARG+ 84 118.00 162.00 12 8.68 20.27 ++ + + *+++ +++ + Angle PHI SER 85 256.00 276.00 9 9.29 51.05 ++ ++ ++ *++ Angle PSI SER 85 113.00 153.00 9 16.51 108.81 ++ ++ *++ + + Angle PHI LEU 90 254.00 298.00 17 15.89 58.16 ++++ +++++ +++++*++ Angle PSI LEU 90 119.00 151.00 20 51.72 62.58 ++++++++++++++*+++++ Angle PHI GLY 92 77.00 97.00 9 7.90 33.42 + * + ++ +++ + Angle PSI GLY 92 349.00 11.00 14 14.70 33.76 * +++ ++ + +++++++ Angle PHI ALA 93 251.00 297.00 17 31.67 88.24 * ++ +++++ +++++++++ Angle PSI ALA 93 109.00 151.00 18 37.43 79.47 *+++++++++++++ +++ + Angle PHI VAL 94 245.00 279.00 15 17.32 45.87 +++ ++++*+ ++ ++++ Angle PSI VAL 94 119.00 147.00 15 21.20 54.68 ++++ + ++++++++ + * Angle PHI THR 95 219.00 273.00 7 7.49 63.34 + +++ * + + Angle PSI THR 95 113.00 139.00 17 26.90 63.41 +++ +*++++++++++++ Angle PHI THR 96 246.00 294.00 15 21.03 57.85 +* ++ + +++ +++++++ Angle PSI THR 96 116.00 146.00 16 29.78 83.51 +++ +++++++++*+ ++ Angle PHI MET 97 248.00 292.00 16 23.03 66.22 + +++++*++++++ +++ Angle PSI MET 97 120.00 166.00 14 19.34 72.79 + + ++++* ++ ++ +++ Angle PHI HIS+ 98 248.00 288.00 14 17.59 65.40 ++ ++ ++++ ++ ++* + Angle PSI HIS+ 98 121.00 149.00 20 53.73 128.75 ++++++++++++++*+++++ Angle PHI VAL 99 242.00 268.00 17 28.19 67.56 +++*++ + ++++++ ++++ Angle PSI VAL 99 121.00 143.00 16 37.51 96.53 +*++ ++ +++++ +++ ++ Angle PHI ILE 100 227.00 273.00 15 18.01 43.47 +*++ +++ + + ++++ ++ Angle PSI ILE 100 113.00 143.00 15 31.21 94.90 ++++ + +++++ +*+++ Angle PHI ILE 101 252.00 274.00 15 23.45 68.06 ++ ++ ++ +++++ +*++ Angle PSI ILE 101 107.00 131.00 19 28.04 66.14 ++++ +++++++++++++*+ Angle PHI GLN 102 231.00 287.00 14 19.73 61.15 *+ +++ +++ ++++++ Angle PSI GLN 102 122.00 152.00 14 12.74 29.62 + + +++++++ ++++* Angle PHI VAL 105 255.00 287.00 13 10.96 58.54 ++ +*++ + + +++++ Angle PHI THR 106 251.00 289.00 9 4.87 20.46 + *++ + + + ++ Angle PSI THR 106 112.00 150.00 11 7.40 24.95 *+ +++ ++ + +++ 43 violated distance constraints. 106 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 6.71 +/- 0.78 A (5.52..8.29 A) Average heavy atom RMSD to mean : 7.37 +/- 0.70 A (6.26..8.75 A)